CID 29946982

En300-12446311

Structural Information

Molecular Formula
C15H20N2O4
SMILES
CC(C)(C)OC(=O)NC1CN(C1)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C15H20N2O4/c1-15(2,3)21-14(20)16-11-8-17(9-11)12-6-4-10(5-7-12)13(18)19/h4-7,11H,8-9H2,1-3H3,(H,16,20)(H,18,19)
InChIKey
ILBOGTULAMHZSI-UHFFFAOYSA-N
Compound name
4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]azetidin-1-yl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.1423 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.14958 170.5
[M+Na]+ 315.13152 173.7
[M-H]- 291.13502 173.9
[M+NH4]+ 310.17612 176.9
[M+K]+ 331.10546 175.5
[M+H-H2O]+ 275.13956 157.1
[M+HCOO]- 337.14050 186.8
[M+CH3COO]- 351.15615 204.5
[M+Na-2H]- 313.11697 171.7
[M]+ 292.14175 178.9
[M]- 292.14285 178.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.